5-propan-2-ylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole

C6H7F3N2OS2 — CID 163875250

IUPAC5-propan-2-ylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCC(C)S(=O)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H7F3N2OS2/c1-3(2)14(12)5-10-4(11-13-5)6(7,8)9/h3H,1-2H3
InChIKeyPOHMVXHMFXHLCY-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.07
Rot. Bonds2

About 5-propan-2-ylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole

5-propan-2-ylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 163875250) has the molecular formula C6H7F3N2OS2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 5-propan-2-ylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-propan-2-ylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID163875250
Molecular FormulaC6H7F3N2OS2
Molecular Weight244.26 g/mol
Exact Mass244.00
IUPAC Name5-propan-2-ylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCC(C)S(=O)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H7F3N2OS2/c1-3(2)14(12)5-10-4(11-13-5)6(7,8)9/h3H,1-2H3
InChIKeyPOHMVXHMFXHLCY-UHFFFAOYSA-N
XLogP2.07
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-propan-2-ylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole (CID 163875250) is 5-propan-2-ylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-propan-2-ylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-propan-2-ylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole is CC(C)S(=O)c1nc(C(F)(F)F)ns1.
What is the InChIKey of 5-propan-2-ylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is POHMVXHMFXHLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2OS2/c1-3(2)14(12)5-10-4(11-13-5)6(7,8)9/h3H,1-2H3.
What are the key properties of 5-propan-2-ylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole?
5-propan-2-ylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 244.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 163875250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).